⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2462390 | 1.00 | — | — | |
| SCHEMBL24106664 | 0.95 | CXCR4 (0.39) | — | |
| SCHEMBL336970 | 0.85 | — | — | |
| SCHEMBL336761 | 0.85 | — | — | |
| SCHEMBL294661 | 0.85 | — | — | |
| Bromide SCHEMBL2466273 | 0.83 | LTA4H (0.34) | — | |
| SCHEMBL4442861 | 0.83 | CXCR4 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28170485 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4037736 | 0.83 | LTA4H (0.34) | — | |
| Hydrochloric Acid SCHEMBL4684318 | 0.83 | LTA4H (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018089261-A2 | COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE | CORVUS PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |